2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine

C18H14FN5 — CID 129169662

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1C1=NCC=C1
InChIInChI=1S/C18H14FN5/c19-14-6-2-1-5-13(14)12-24-17(15-7-3-8-20-15)11-16(23-24)18-21-9-4-10-22-18/h1-7,9-11H,8,12H2
InChIKeyRVADMCZZPUALSA-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine

2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine (PubChem CID 129169662) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine
PubChem CID129169662
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine
SMILESFc1ccccc1Cn1nc(-c2ncccn2)cc1C1=NCC=C1
InChIInChI=1S/C18H14FN5/c19-14-6-2-1-5-13(14)12-24-17(15-7-3-8-20-15)11-16(23-24)18-21-9-4-10-22-18/h1-7,9-11H,8,12H2
InChIKeyRVADMCZZPUALSA-UHFFFAOYSA-N
XLogP2.89
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine (CID 129169662) is 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine is Fc1ccccc1Cn1nc(-c2ncccn2)cc1C1=NCC=C1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine?
The InChIKey is RVADMCZZPUALSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-14-6-2-1-5-13(14)12-24-17(15-7-3-8-20-15)11-16(23-24)18-21-9-4-10-22-18/h1-7,9-11H,8,12H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine?
2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine has a molecular weight of 319.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-(2H-pyrrol-5-yl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 129169662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).